Detailed information for compound 1132313

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 631.581 | Formula: C29H35BrN4O5S
  • H donors: 1 H acceptors: 5 LogP: 6.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cccc(c1)C1(CCN(CC1)c1ncc(cn1)Br)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
  • InChi: 1S/C29H35BrN4O5S/c1-19(2)24-10-7-11-25(20(3)4)26(24)39-40(36,37)33-27(35)29(21-8-6-9-23(16-21)38-5)12-14-34(15-13-29)28-31-17-22(30)18-32-28/h6-11,16-20H,12-15H2,1-5H3,(H,33,35)
  • InChiKey: MGWSCLURDWBGKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Acyl coenzyme A:cholesterol acyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus granulosus sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma mansoni sterol O-acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus multilocularis sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma japonicum ko:K00637 sterol O-acyltransferase [EC2.3.1.26], putative Get druggable targets OG5_133487 All targets in OG5_133487
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum diacylglycerol O-acyltransferase 1 Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 547 aa 22.3 %
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 510 aa 24.1 %
Neospora caninum sterol O-acyltransferase, putative Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 510 aa 21.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0386 0.0439
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0196 0.0247
Brugia malayi beta-lactamase 0.0036 0.0196 0.0186
Schistosoma mansoni hypothetical protein 0.0041 0.0259 0.0326
Echinococcus granulosus GTP binding nuclear protein Ran 0.0043 0.0285 0.0327
Loa Loa (eye worm) hypothetical protein 0.0051 0.0386 0.0486
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.1025 0.1002
Echinococcus granulosus importin subunit beta 1 0.0059 0.0488 0.0584
Schistosoma mansoni hypothetical protein 0.0041 0.0259 0.0326
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0488 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0056 0.003
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0214 0.0468
Loa Loa (eye worm) hypothetical protein 0.01 0.1025 0.1291
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0455 0.0542
Onchocerca volvulus 0.0036 0.0196 0.0245
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0343 0.0501
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0407 0.5053 0.6363
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0056 0.0037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.3424 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0356 0.0331
Onchocerca volvulus 0.0155 0.1742 0.2941
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0196 0.017
Schistosoma mansoni ap endonuclease 0.0038 0.0214 0.0269
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0214 0.3647
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0279 0.032
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0043 0.0285 0.53
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.1586 0.1564
Brugia malayi beta-lactamase family protein 0.0036 0.0196 0.0186
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0214 0.3647
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.3424 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0058 0.0483 0.9883
Brugia malayi Bromodomain containing protein 0.0078 0.0743 0.0913
Brugia malayi beta-lactamase family protein 0.0036 0.0196 0.0186
Brugia malayi mbt repeat family protein 0.0049 0.0356 0.0399
Trichomonas vaginalis importin beta-1, putative 0.0048 0.0343 0.0501
Schistosoma mansoni ran 0.0043 0.0285 0.0359
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0214 0.021
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.007
Echinococcus granulosus snurportin 1 0.0628 0.794 1
Brugia malayi CHE-14 protein 0.0043 0.0279 0.0297
Brugia malayi PHD-finger family protein 0.0026 0.0058 0.0004
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0196 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0196 0.0245
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0076 0.0716 0.0902
Brugia malayi hypothetical protein 0.0155 0.1742 0.224
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.2771 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0214 0.0188
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0534 0.0641
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0386 0.0439
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0196 0.0215
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0397 0.0499
Toxoplasma gondii HEAT repeat-containing protein 0.0059 0.0488 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0356 0.0448
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0056 0.0037
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0902
Loa Loa (eye worm) hypothetical protein 0.0035 0.0175 0.022
Plasmodium vivax importin-beta 2, putative 0.0059 0.0488 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0285 0.799
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0356 0.0524
Echinococcus multilocularis protein dispatched 1 0.0049 0.0358 0.0333
Loa Loa (eye worm) hypothetical protein 0.0036 0.0196 0.0247
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0209 0.0231
Onchocerca volvulus 0.0052 0.0397 0.0595
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.1586 0.1971
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0444 0.0419
Schistosoma mansoni fatty acid binding protein 0.004 0.0239 0.0301
Brugia malayi glutaminase DH11.1 0.0282 0.3413 0.446
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0196 0.3244
Brugia malayi MH2 domain containing protein 0.0128 0.1398 0.1784
Loa Loa (eye worm) hypothetical protein 0.004 0.0242 0.0305
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0056 0.007
Loa Loa (eye worm) hypothetical protein 0.0074 0.0684 0.0862
Leishmania major importin beta-1 subunit, putative 0.0048 0.0343 0.652
Loa Loa (eye worm) hypothetical protein 0.0036 0.0196 0.0247
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0559
Schistosoma mansoni zinc finger protein 0.0026 0.0056 0.007
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0496 0.0625
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0043 0.0285 0.0305
Echinococcus multilocularis fatty acid binding protein FABP2 0.004 0.0239 0.0214
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.007
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0043 0.0285 0.53
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0214 0.0468
Schistosoma mansoni bromodomain containing protein 0.0066 0.0583 0.0734
Loa Loa (eye worm) hypothetical protein 0.0043 0.0279 0.0351
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0196 0.0247
Loa Loa (eye worm) hypothetical protein 0.0059 0.0488 0.0615
Loa Loa (eye worm) hypothetical protein 0.0036 0.0196 0.0247
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0043 0.0285 0.53
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0214 0.0068
Loa Loa (eye worm) hypothetical protein 0.0155 0.1742 0.2194
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0196 0.0247
Loa Loa (eye worm) hypothetical protein 0.0036 0.0196 0.0247
Plasmodium vivax SET domain protein, putative 0.0058 0.0483 0.9883
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0056 0.007
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0058 0.0483 0.0609
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0279 0.0351
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0214 0.0275
Echinococcus granulosus fatty acid binding protein FABP2 0.004 0.0239 0.0269
Echinococcus multilocularis geminin 0.0341 0.4182 0.4167
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0356 0.0417
Schistosoma mansoni hypothetical protein 0.0041 0.0259 0.0326
Loa Loa (eye worm) hypothetical protein 0.0254 0.3046 0.3836
Loa Loa (eye worm) hypothetical protein 0.0052 0.0405 0.051
Echinococcus granulosus survival motor neuron protein 1 0.0254 0.3046 0.3816
Loa Loa (eye worm) MBCTL1 0.0055 0.0444 0.0559
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0356 0.0448
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0279 0.0389
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0043 0.0285 0.0359
Schistosoma mansoni survival motor neuron protein 0.0052 0.0397 0.05
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0214 0.5
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0026 0.0056 0.003
Schistosoma mansoni hypothetical protein 0.0341 0.4182 0.5267
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0356 0.0417
Leishmania major GTP-binding protein, putative 0.0043 0.0285 0.5209
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0026 0.0056 0.0037
Loa Loa (eye worm) hhat protein 0.0026 0.0056 0.007
Echinococcus multilocularis fatty acid binding protein FABP2 0.004 0.0239 0.0214
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0214 0.0054
Onchocerca volvulus 0.0036 0.0196 0.0245
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.1398 0.1761
Schistosoma mansoni hypothetical protein 0.0052 0.0397 0.05
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0214 0.3647
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0214 0.0237
Schistosoma mansoni fatty acid binding protein 0.004 0.0239 0.0301
Schistosoma mansoni hypothetical protein 0.0341 0.4182 0.5267
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.1025 0.1288
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0026 0.0056 0.007
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0397 0.0453
Trichomonas vaginalis glutaminase, putative 0.0282 0.3413 0.5854
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.3424 1
Echinococcus granulosus geminin 0.0341 0.4182 0.5251
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.0483 0.0609
Onchocerca volvulus 0.0058 0.0483 0.0746
Brugia malayi mbt repeat family protein 0.0049 0.0356 0.0399
Brugia malayi Pre-SET motif family protein 0.0407 0.5053 0.6639
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0026 0.0056 0.003
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0444 0.0528
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0026 0.0056 0.0037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0043 0.0285 0.53
Echinococcus multilocularis snurportin 1 0.0628 0.794 0.7935
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0056 0.007
Onchocerca volvulus 0.0464 0.579 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0026 0.0056 0.007
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0628 0.794 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.1025 0.2878
Toxoplasma gondii ABC1 family protein 0.0036 0.0196 0.3244
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0285 0.799
Loa Loa (eye worm) glutaminase 0.0282 0.3413 0.4298
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Schistosoma mansoni sterol O-acyltransferase 1 0.0264 0.3174 0.3997
Schistosoma mansoni hypothetical protein 0.0628 0.794 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.02 0.2332 0.2311
Echinococcus granulosus sterol O acyltransferase 1 0.0264 0.3174 0.3977
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.06 0.7582 0.9549
Echinococcus granulosus endonuclease exonuclease phosphatase 0.02 0.2332 0.2913
Plasmodium falciparum importin beta, putative 0.0059 0.0488 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0196 0.0245
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0026 0.0056 0.003
Mycobacterium ulcerans glutaminase 0.0282 0.3413 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0026 0.0056 0.007
Loa Loa (eye worm) hypothetical protein 0.0042 0.0275 0.0346
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0496 1
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0279 0.032
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.007
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0496 0.0932
Loa Loa (eye worm) hhat protein 0.0026 0.0056 0.007
Onchocerca volvulus 0.0049 0.0356 0.0524
Brugia malayi Bromodomain containing protein 0.004 0.0241 0.0247
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0386 0.0486
Loa Loa (eye worm) hypothetical protein 0.0036 0.0196 0.0247
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0026 0.0056 0.0037
Schistosoma mansoni hypothetical protein 0.0035 0.0175 0.022
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0026 0.0056 0.007
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0209 0.0183
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0214 0.3585
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0356 0.0448
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.1025 0.1262
Echinococcus granulosus expressed conserved protein 0.0094 0.0946 0.1162
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.1398 0.1761
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.06 0.7582 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0026 0.0056 0.007
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0056 0.0037
Entamoeba histolytica hypothetical protein 0.0048 0.0343 0.0852
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1045 0.1316
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0076 0.0716 0.0902
Echinococcus multilocularis survival motor neuron protein 1 0.0254 0.3046 0.3028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Echinococcus multilocularis protein patched 0.0043 0.0279 0.0254
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0196 0.0186
Loa Loa (eye worm) hypothetical protein 0.0238 0.2836 0.3572
Echinococcus multilocularis expressed conserved protein 0.0094 0.0946 0.0922
Trichomonas vaginalis esterase, putative 0.0036 0.0196 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Schistosoma mansoni ran 0.0043 0.0285 0.0359
Brugia malayi RNA, U transporter 1 0.0167 0.1908 0.2462
Schistosoma mansoni hypothetical protein 0.0041 0.0259 0.0326
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0026 0.0033
Brugia malayi Pre-SET motif family protein 0.0058 0.0483 0.0568
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0214 0.5498
Loa Loa (eye worm) hypothetical protein 0.0036 0.0196 0.0247
Echinococcus granulosus fatty acid binding protein FABP2 0.004 0.0239 0.0269
Loa Loa (eye worm) glutaminase 2 0.0282 0.3413 0.4298
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0444 0.0528
Loa Loa (eye worm) hypothetical protein 0.0264 0.3174 0.3997
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0026 0.0056 0.003
Loa Loa (eye worm) beta-lactamase 0.0036 0.0196 0.0247
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0056 0.007
Schistosoma mansoni hypothetical protein 0.0304 0.3695 0.4654
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0343 0.0501
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0214 0.0275
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0279 0.0254
Echinococcus granulosus histone lysine methyltransferase setb 0.0076 0.0716 0.0872
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0356 0.0448
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0056 0.007
Loa Loa (eye worm) hypothetical protein 0.0044 0.0301 0.0379
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0214 0.0269
Schistosoma mansoni importin beta-1 0.0059 0.0488 0.0615
Echinococcus multilocularis sterol O acyltransferase 1 0.0264 0.3174 0.3156
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0496 0.0932
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0444 0.0419
Entamoeba histolytica Ran family GTPase 0.0043 0.0285 0.0681
Echinococcus multilocularis importin subunit beta 1 0.0059 0.0488 0.0463
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0026 0.0056 0.003
Brugia malayi hypothetical protein 0.0254 0.3046 0.3973
Schistosoma mansoni glutaminase 0.0282 0.3413 0.4298
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0026 0.0056 0.0037
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0444 0.0559
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.0343 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0056 0.007
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0076 0.0716 0.0692
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.1528 0.4142
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0026 0.0056 0.0037
Onchocerca volvulus 0.0036 0.0196 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.3424 0.5874
Trichomonas vaginalis set domain proteins, putative 0.0464 0.579 1
Leishmania major hypothetical protein, conserved 0.0036 0.0196 0.3189
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0196 0.0245
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0196 0.0245
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.1528 0.5174
Schistosoma mansoni ap endonuclease 0.0038 0.0214 0.0269
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0175 0.0158
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0058 0.0483 0.0458
Brugia malayi Importin beta-1 subunit 0.0059 0.0488 0.0575
Schistosoma mansoni patched 1 0.0043 0.0279 0.0351
Trichomonas vaginalis ran, putative 0.0043 0.0285 0.04
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.1528 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0496 0.0585
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0196 0.4891
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.3424 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0496 0.0594
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0214 0.5498
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0444 0.0516
Loa Loa (eye worm) hypothetical protein 0.0049 0.0356 0.0448
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0534 0.0509
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0043 0.0285 0.0223
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0043 0.0285 0.026
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0196 0.4891
Toxoplasma gondii exonuclease III APE 0.0038 0.0214 0.3647
Schistosoma mansoni hypothetical protein 0.0026 0.0056 0.007
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0056 0.003
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0488 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0496 0.0471
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0056 0.003
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0496 0.1164
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0196 0.3244
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0356 0.0331

Activities

Activity type Activity value Assay description Source Reference
EC25 (functional) = 0.61 uM Upregulation of LDL receptor expression in human HepG2 cells assessed as DiI-LDL uptake after 19 hrs ChEMBL. 20356098
IC50 (binding) > 1 uM Inhibition of rat macrophages ACAT ChEMBL. 20356098

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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